Information card for entry 4081745

Structure parameters

• Formula: C34 H30 B2 S2
• Calculated formula: C34 H30 B2 S2
• Title of publication: Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes
• Authors of publication: Mercier, Lauren G.; Piers, Warren E.; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6820
• a: 7.56 ± 0.002 Å
• b: 12.147 ± 0.003 Å
• c: 16.785 ± 0.004 Å
• α: 98.151 ± 0.003°
• β: 91.567 ± 0.003°
• γ: 108.005 ± 0.003°
• Cell volume: 1446.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No